(3R)-3-(aminocarbonylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-phenoxyphenyl)propanamide

Systemtic Name: (3R)-3-(aminocarbonylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-phenoxyphenyl)propanamide Openeye Name: (3R)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(3-phenoxyphenyl)-3-ureido-propanamide CAS Name: (3R)-3-(carbamoylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(3-phenoxyphenyl)propanamide IUPAC Name: (3R)-3-(carbamoylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-phenoxyphenyl)propanamide Traditional Name: (3R)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(3-phenoxyphenyl)-3-ureido-propionamide Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC(C3=CC(=CC=C3)OC4=CC=CC=C4)NC(=O)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[C@H](C3=CC(=CC=C3)OC4=CC=CC=C4)NC(=O)N

InChI

InChI=1S/C27H27N5O4/c1-18-25(26(34)32(31(18)2)20-11-5-3-6-12-20)30-24(33)17-23(29-27(28)35)19-10-9-15-22(16-19)36-21-13-7-4-8-14-21/h3-16,23H,17H2,1-2H3,(H,30,33)(H3,28,29,35)/t23-/m1/s1